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56195-26-7 | alpha.-[2,3-dihydro-3-[tetrahydro-1-(3-methoxypropyl)-3-methyl-2,4,6-trioxo-5(2H)-pyrimidinylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile
CAS No: 56195-26-7 Catalog No: AG00DMT3 MDL No:
Product Description
Catalog Number:
AG00DMT3
Chemical Name:
alpha.-[2,3-dihydro-3-[tetrahydro-1-(3-methoxypropyl)-3-methyl-2,4,6-trioxo-5(2H)-pyrimidinylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile
CAS Number:
56195-26-7
IUPAC Name:
2-(benzimidazol-2-ylidene)-2-[3-[4-hydroxy-1-(3-methoxypropyl)-3-methyl-2,6-dioxopyrimidin-5-yl]-2H-isoindol-1-yl]acetonitrile
InChI:
InChI=1S/C26H22N6O4/c1-31-24(33)20(25(34)32(26(31)35)12-7-13-36-2)22-16-9-4-3-8-15(16)21(30-22)17(14-27)23-28-18-10-5-6-11-19(18)29-23/h3-6,8-11,30,33H,7,12-13H2,1-2H3
InChI Key:
UDKDYQGTCXKZSE-UHFFFAOYSA-N
EC Number:
260-048-5
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.17g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
482.5g/mol
Monoisotopic Mass:
482.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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